Formula |
C16H12N4O4 |
IUPAC Name |
3-[4-(4-nitrophenoxy)phenyl]pyrazol-1-ium-2-ide-1-carboxamide |
Molecular Mass |
324.291 g·mol−1 |
Heat of Formation |
54.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.25 ± 1.08 D |
Volume |
357.95 Å 3 |
Surface Area |
331.17 Å 2 |
HOMO Energy |
-9.58 ± 0.55 eV |
LUMO Energy |
1.73 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 3-[4-(4-nitrophenoxy)phenyl]-1-pyrazolecarboxamide
|
InChIKey |
TXAVIYCBJUQLRV-UHFFFAOYSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
O
N
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